2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-ethyl-N-phenylacetamide

C18H19N3O2 — CID 17088130

IUPAC2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)COc1nc(C)cc(C)c1C#N)c1ccccc1
InChIInChI=1S/C18H19N3O2/c1-4-21(15-8-6-5-7-9-15)17(22)12-23-18-16(11-19)13(2)10-14(3)20-18/h5-10H,4,12H2,1-3H3
InChIKeyYEFDIGYHVWOWBN-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.00
Rot. Bonds5

About 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-ethyl-N-phenylacetamide

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-ethyl-N-phenylacetamide (PubChem CID 17088130) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-ethyl-N-phenylacetamide
PubChem CID17088130
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)COc1nc(C)cc(C)c1C#N)c1ccccc1
InChIInChI=1S/C18H19N3O2/c1-4-21(15-8-6-5-7-9-15)17(22)12-23-18-16(11-19)13(2)10-14(3)20-18/h5-10H,4,12H2,1-3H3
InChIKeyYEFDIGYHVWOWBN-UHFFFAOYSA-N
XLogP3.00
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-ethyl-N-phenylacetamide (CID 17088130) is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-ethyl-N-phenylacetamide is CCN(C(=O)COc1nc(C)cc(C)c1C#N)c1ccccc1.
What is the InChIKey of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-ethyl-N-phenylacetamide?
The InChIKey is YEFDIGYHVWOWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-4-21(15-8-6-5-7-9-15)17(22)12-23-18-16(11-19)13(2)10-14(3)20-18/h5-10H,4,12H2,1-3H3.
What are the key properties of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-ethyl-N-phenylacetamide?
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-ethyl-N-phenylacetamide has a molecular weight of 309.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 17088130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).